N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide

C24H26ClN3O4 — CID 135936084

IUPACN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide
SMILESCCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C24H26ClN3O4/c1-2-11-28(14-22-26-21-13-17(25)7-10-20(21)23(29)27-22)24(30)16-5-8-18(9-6-16)32-15-19-4-3-12-31-19/h5-10,13,19H,2-4,11-12,14-15H2,1H3,(H,26,27,29)/t19-/m1/s1
InChIKeyLLKPSWIKGBBMFT-LJQANCHMSA-N
MW455.94 g/mol
LogP4.19
Rot. Bonds8

About N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide

N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide (PubChem CID 135936084) has the molecular formula C24H26ClN3O4 and a molecular weight of 455.94 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide
PubChem CID135936084
Molecular FormulaC24H26ClN3O4
Molecular Weight455.94 g/mol
Exact Mass455.16
IUPAC NameN-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide
SMILESCCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C24H26ClN3O4/c1-2-11-28(14-22-26-21-13-17(25)7-10-20(21)23(29)27-22)24(30)16-5-8-18(9-6-16)32-15-19-4-3-12-31-19/h5-10,13,19H,2-4,11-12,14-15H2,1H3,(H,26,27,29)/t19-/m1/s1
InChIKeyLLKPSWIKGBBMFT-LJQANCHMSA-N
XLogP4.19
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.94
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide with MolForge

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Related Compounds

N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3,5-dimethoxy-4-methyl-N-propylbenzamide
CID 135962428
2-(4-chlorophenoxy)-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135891120
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3,5-dimethyl-N-propyl-1,2-oxazole-4-carboxamide
CID 135583708
(2R)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-6-carboxamide
CID 135920628
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-5-methoxy-N-propylbenzamide
CID 135737967
(2S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-methyl-3-oxo-N-propyl-4H-1,4-benzothiazine-6-carboxamide
CID 135920627
(1S,2R,4S,5S)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propyltricyclo[3.2.1.02,4]octane-3-carboxamide
CID 137048436
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2-methylphenoxy)-N-propylacetamide
CID 135875163
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-oxo-3-prop-2-enyl-N-propyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 137294578
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(methylamino)-N-propylacetamide;hydrochloride
CID 137131264
4-(4-acetylphenoxy)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylbutanamide
CID 135775979
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-1-(cyclopropanecarbonyl)-N-propylpiperidine-4-carboxamide
CID 135962386

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide?
The IUPAC name of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide (CID 135936084) is N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide?
The canonical SMILES for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide is CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(OC[C@H]2CCCO2)cc1.
What is the InChIKey of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide?
The InChIKey is LLKPSWIKGBBMFT-LJQANCHMSA-N. The full InChI is InChI=1S/C24H26ClN3O4/c1-2-11-28(14-22-26-21-13-17(25)7-10-20(21)23(29)27-22)24(30)16-5-8-18(9-6-16)32-15-19-4-3-12-31-19/h5-10,13,19H,2-4,11-12,14-15H2,1H3,(H,26,27,29)/t19-/m1/s1.
What are the key properties of N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide?
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide has a molecular weight of 455.94 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-4-[[(2R)-oxolan-2-yl]methoxy]-N-propylbenzamide is sourced from PubChem (CID 135936084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).